N-(1-adamantyl)-4-bromanyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: N-(1-adamantyl)-4-bromanyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: N-(1-adamantyl)-4-bromo-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: N-(1-adamantyl)-4-bromo-2-methyl-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-4-bromo-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: N-(1-adamantyl)-4-bromo-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C16H19BrF3N3O MolecularWeight: 406.24077

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)Br)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)Br)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C16H19BrF3N3O/c1-23-12(11(17)13(22-23)16(18,19)20)14(24)21-15-5-8-2-9(6-15)4-10(3-8)7-15/h8-10H,2-7H2,1H3,(H,21,24)